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Compound Detail

CHEMBL41226

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(C)Cc1ccoc1

Basic Information

ChEMBL ID CHEMBL41226
Phase Preclinical
Structure Type MOL
InChI Key FCGZRGKHRSLYNZ-ZKWNWVNESA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

397.6
MW (Da)
7.38
ALogP
2
HBA
0
HBD
33.5
PSA (Ų)
0.22
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H39NO2
MW 397.60
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 0.26

Activity Summary

IC50 2 meas. best 4.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
IC50 4.62 4.62 24000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12672252 10.1021/jm0210818 Homo sapiens 2
12672252 10.1021/jm0210818 Fatty-acid amide hydrolase 1 2
12672252 10.1021/jm0210818 Cannabinoid receptor 1 1
12672252 10.1021/jm0210818 Cannabinoid receptor 2 1
12672252 10.1021/jm0210818 Transient receptor potential cation channel subfamily V member 1 1

Data from ChEMBL 36 via Core Engine